SCHEMBL4049259

SCHEMBL4049259

FC(F)Oc1ccccc1-c1c[nH][c]n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.41
KCNN4 O15554 4/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
EGFR P00533 2/20 0.33
TNF P01375 1/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
TRPA1 O75762 1/20 0.33
PDE10A Q9Y233 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
MAPT P10636 1/20 0.31
PLAT P00750 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11669563 0.76 BRD4 (0.40) KMT2A
SCHEMBL6001640 0.75 METAP2 (0.33) ALDH1A1HSD17B10HPGDALOX15MAPT
SCHEMBL4045966 0.73 IDO1 (0.46) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL28214791 0.72 DRD1 (0.44) DRD1KCNN4KDM4EALDH1A1EGFR
SCHEMBL22954649 0.70 ADRA2A (0.52) DRD1KCNN4KDM4EALDH1A1HSD17B10
SCHEMBL4047980 0.70 DRD1 (0.44) DRD1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL4045894 0.69 HSD11B1 (0.41) TRPA1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4044661 0.69 DRD1 (0.41) DRD1KCNN4KDM4EALDH1A1EGFR
SCHEMBL2652669 0.69 DRD1 (0.41) DRD1KCNN4KDM4EALDH1A1EGFR
SCHEMBL6003169 0.69 MGAM (0.42) KDM4EALDH1A1HSD17B10HPGDMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589096-B2 Azole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-15 US disclosed
EP-1566384-B1 NOVEL AZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2009-06-17 EP disclosed
US-20080188507-A1 Novel azole derivatives MSD K.K. (JP) 2008-08-07 US disclosed
US-7365079-B2 Azole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-29 US disclosed
US-20060111380-A1 Novel azole derivatives MSD K.K. (JP) 2006-05-25 US disclosed
EP-1566384-A1 NOVEL AZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-24 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080188507-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R DRD1 1441/4885KCNN4 2165/4885KDM4E 2034/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R DRD1 1395/4885KCNN4 2126/4885KDM4E 2049/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.